CID 53404293

4-chloropyridine-2,5-diamine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=C(C(=CN=C1N)N)Cl
InChI
InChI=1S/C5H6ClN3/c6-3-1-5(8)9-2-4(3)7/h1-2H,7H2,(H2,8,9)
InChIKey
IXBAKMAPGBYNOF-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 125.6
[M+Na]+ 166.014238 135.7
[M-H]- 142.017744 127.6
[M+NH4]+ 161.058843 146.0
[M+K]+ 181.988178 131.8
[M+H-H2O]+ 126.022280 120.3
[M+HCOO]- 188.023221 146.3
[M+CH3COO]- 202.038871 176.4
[M+Na-2H]- 163.999686 132.4
[M]+ 143.02447142 123.7
[M]- 143.02556858 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe